2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol

C12H20N2O — CID 78934890

IUPAC2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccccc1[C@@H](C)N
InChIInChI=1S/C12H20N2O/c1-3-14(8-9-15)12-7-5-4-6-11(12)10(2)13/h4-7,10,15H,3,8-9,13H2,1-2H3/t10-/m1/s1
InChIKeyHXRBPOXTKJMSAA-SNVBAGLBSA-N
MW208.30 g/mol
LogP1.52
Rot. Bonds5

About 2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol

2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol (PubChem CID 78934890) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
PubChem CID78934890
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
SMILESCCN(CCO)c1ccccc1[C@@H](C)N
InChIInChI=1S/C12H20N2O/c1-3-14(8-9-15)12-7-5-4-6-11(12)10(2)13/h4-7,10,15H,3,8-9,13H2,1-2H3/t10-/m1/s1
InChIKeyHXRBPOXTKJMSAA-SNVBAGLBSA-N
XLogP1.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1-aminopropyl)-N-ethylanilino]ethanol
CID 112677936
2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol
CID 107480549
2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline
CID 63697735
2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylpropyl)aniline
CID 78935741
2-[2-[(1R)-1-aminoethyl]-N-propan-2-ylanilino]ethanol
CID 78935304
2-(1-aminoethyl)-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 55010759
(1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371248
2-[2-(1-aminoethyl)-N-ethyl-3-methoxyanilino]ethanol
CID 113388978
N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 78935470
2-(2-chloro-N-ethylanilino)ethanol
CID 70558139
2-[2-[(1R)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 78935565
2-[2-[(1S)-1-aminoethyl]-N-cyclopropylanilino]ethanol
CID 63368640

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol (CID 78934890) is 2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol is CCN(CCO)c1ccccc1[C@@H](C)N.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol?
The InChIKey is HXRBPOXTKJMSAA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-14(8-9-15)12-7-5-4-6-11(12)10(2)13/h4-7,10,15H,3,8-9,13H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol?
2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol has a molecular weight of 208.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol is sourced from PubChem (CID 78934890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).